Found 29 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379608
(CHEMBL2013020)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(12.87,-43.9,;11.53,-43.13,;11.53,-41.59,;10.2,-43.89,;10.96,-45.22,;9.43,-45.22,;8.86,-43.13,;7.53,-43.9,;6.2,-43.12,;4.87,-43.89,;3.54,-43.12,;3.54,-41.58,;4.87,-40.8,;6.2,-41.58,;2.2,-40.82,;.87,-41.59,;.88,-43.13,;-.46,-40.82,;-1.8,-41.6,;-1.96,-43.13,;-3.47,-43.45,;-4.24,-42.12,;-5.74,-41.81,;-6.22,-40.35,;-7.73,-40.04,;-5.19,-39.2,;-3.68,-39.52,;-3.21,-40.98,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8-11,14-15,18,22H,3-4,6-7,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353148
(CHEMBL1829320)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10,-2.04,;8.67,-1.27,;8.67,.27,;7.34,-2.03,;6.55,-3.36,;8.09,-3.36,;6.01,-1.26,;4.67,-2.02,;3.34,-1.25,;3.34,.29,;2,1.07,;.67,.29,;.67,-1.25,;2,-2.02,;-.66,1.06,;-1.99,.28,;-1.99,-1.26,;-3.33,1.06,;-4.66,.28,;-4.66,-1.26,;-3.33,-2.03,;-6,-2.03,;-7.33,-1.26,;-7.33,.27,;-8.67,1.04,;-8.67,2.59,;-10,3.35,;-7.34,3.36,;-6,2.6,;-5.99,1.05,)| Show InChI InChI=1S/C20H28ClN3O5S/c1-13(2)30(27,28)22-10-14-3-6-16(7-4-14)23-19(25)11-24-17-8-5-15(21)9-18(17)29-12-20(24)26/h5,8-9,13-14,16,22H,3-4,6-7,10-12H2,1-2H3,(H,23,25)/t14-,16- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379595
(CHEMBL2013012)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353154
(CHEMBL1829326)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(32.58,-25.11,;31.25,-24.34,;31.25,-22.8,;29.92,-25.11,;29.13,-26.43,;30.67,-26.43,;28.59,-24.34,;27.25,-25.1,;25.92,-24.33,;25.92,-22.79,;24.58,-22.01,;23.25,-22.79,;23.25,-24.33,;24.58,-25.09,;21.92,-22.02,;20.59,-22.79,;20.59,-24.33,;19.25,-22.02,;17.92,-22.8,;17.92,-24.34,;16.58,-25.1,;15.25,-24.33,;15.25,-22.8,;13.91,-22.03,;13.91,-20.49,;12.58,-19.72,;15.24,-19.72,;16.58,-20.48,;16.59,-22.03,)| Show InChI InChI=1S/C21H32ClN3O3S/c1-15(2)29(27,28)23-13-16-5-8-19(9-6-16)24-21(26)14-25-11-3-4-17-12-18(22)7-10-20(17)25/h7,10,12,15-16,19,23H,3-6,8-9,11,13-14H2,1-2H3,(H,24,26)/t16-,19- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379603
(CHEMBL2013025)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(F)c(F)cc12 |r,wU:8.7,wD:11.14,(11.86,-7.35,;10.53,-6.58,;10.53,-5.04,;9.19,-7.34,;9.96,-8.67,;8.42,-8.67,;7.86,-6.58,;6.53,-7.34,;5.19,-6.57,;3.87,-7.34,;2.54,-6.57,;2.54,-5.03,;3.87,-4.25,;5.19,-5.03,;1.2,-4.27,;-.13,-5.04,;-.13,-6.58,;-1.47,-4.27,;-2.8,-5.05,;-2.96,-6.58,;-4.47,-6.9,;-5.24,-5.57,;-6.74,-5.26,;-7.22,-3.8,;-8.73,-3.49,;-6.19,-2.65,;-6.67,-1.18,;-4.69,-2.97,;-4.21,-4.43,)| Show InChI InChI=1S/C20H27F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-16(6-4-14)24-20(26)12-25-8-7-15-9-17(21)18(22)10-19(15)25/h7-10,13-14,16,23H,3-6,11-12H2,1-2H3,(H,24,26)/t14-,16- | KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379606
(CHEMBL2013022)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cccc(Cl)c12 |r,wU:8.7,wD:11.14,(11.12,-50.13,;9.79,-49.36,;9.79,-47.82,;8.45,-50.12,;9.22,-51.45,;7.68,-51.45,;7.12,-49.35,;5.79,-50.12,;4.45,-49.35,;3.13,-50.11,;1.8,-49.35,;1.8,-47.81,;3.13,-47.03,;4.45,-47.81,;.46,-47.04,;-.87,-47.82,;-.87,-49.36,;-2.21,-47.05,;-3.54,-47.83,;-3.7,-49.35,;-5.21,-49.68,;-5.98,-48.35,;-7.48,-48.03,;-7.96,-46.58,;-6.93,-45.42,;-5.43,-45.74,;-4.4,-44.6,;-4.95,-47.2,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-17(9-7-15)23-19(25)13-24-11-10-16-4-3-5-18(21)20(16)24/h3-5,10-11,14-15,17,22H,6-9,12-13H2,1-2H3,(H,23,25)/t15-,17- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379597
(CHEMBL2013010)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c2ccc(Cl)cc2sc1=O |r,wU:8.7,wD:11.14,(10.44,-12.14,;9.11,-11.36,;9.11,-9.82,;7.77,-12.13,;8.53,-13.46,;7,-13.45,;6.44,-11.36,;5.1,-12.13,;3.77,-11.36,;2.44,-12.12,;1.11,-11.36,;1.11,-9.82,;2.44,-9.04,;3.77,-9.82,;-.22,-9.05,;-1.56,-9.82,;-1.55,-11.36,;-2.89,-9.06,;-4.22,-9.83,;-5.63,-9.21,;-6.11,-7.75,;-7.62,-7.43,;-8.65,-8.58,;-10.15,-8.27,;-8.16,-10.04,;-6.67,-10.35,;-5.89,-11.69,;-4.39,-11.36,;-3.24,-12.39,)| Show InChI InChI=1S/C19H26ClN3O4S2/c1-12(2)29(26,27)21-10-13-3-6-15(7-4-13)22-18(24)11-23-16-8-5-14(20)9-17(16)28-19(23)25/h5,8-9,12-13,15,21H,3-4,6-7,10-11H2,1-2H3,(H,22,24)/t13-,15- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353149
(CHEMBL1829321)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCOc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.92,-9.69,;9.59,-8.92,;9.6,-7.38,;8.26,-9.68,;7.48,-11.01,;9.02,-11.01,;6.93,-8.91,;5.59,-9.67,;4.26,-8.9,;4.26,-7.36,;2.92,-6.58,;1.6,-7.36,;1.59,-8.9,;2.92,-9.67,;.26,-6.59,;-1.07,-7.37,;-1.06,-8.91,;-2.4,-6.59,;-3.74,-7.37,;-3.74,-8.91,;-5.07,-9.68,;-6.4,-8.91,;-6.4,-7.38,;-7.74,-6.61,;-7.74,-5.06,;-9.08,-4.3,;-6.41,-4.3,;-5.08,-5.05,;-5.07,-6.61,)| Show InChI InChI=1S/C20H30ClN3O4S/c1-14(2)29(26,27)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-28-19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379607
(CHEMBL2013021)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(Cl)cc12 |r,wU:8.7,wD:11.14,(34.5,-46.23,;33.16,-45.46,;33.17,-43.92,;31.83,-46.22,;32.59,-47.55,;31.06,-47.54,;30.5,-45.45,;29.16,-46.22,;27.83,-45.45,;26.5,-46.21,;25.17,-45.45,;25.17,-43.91,;26.5,-43.13,;27.83,-43.91,;23.84,-43.14,;22.5,-43.92,;22.51,-45.46,;21.17,-43.15,;19.84,-43.93,;19.67,-45.45,;18.16,-45.78,;17.39,-44.45,;15.89,-44.13,;15.41,-42.68,;16.44,-41.52,;15.96,-40.06,;17.95,-41.84,;18.42,-43.3,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-3-7-18(8-4-15)23-20(25)13-24-10-9-16-5-6-17(21)11-19(16)24/h5-6,9-11,14-15,18,22H,3-4,7-8,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379598
(CHEMBL2013016)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CC(C)(C)c2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.66,-30.81,;10.33,-30.04,;10.33,-28.5,;8.99,-30.8,;9.75,-32.13,;8.22,-32.13,;7.66,-30.03,;6.32,-30.8,;4.99,-30.03,;3.66,-30.79,;2.33,-30.03,;2.33,-28.49,;3.66,-27.71,;4.99,-28.49,;1,-27.72,;-.33,-28.5,;-.33,-30.04,;-1.67,-27.73,;-3,-28.51,;-3.16,-30.03,;-4.67,-30.36,;-4.28,-31.84,;-5.76,-31.44,;-5.44,-29.03,;-6.94,-28.71,;-7.42,-27.26,;-8.93,-26.94,;-6.39,-26.1,;-4.89,-26.42,;-4.41,-27.88,)| Show InChI InChI=1S/C22H34ClN3O3S/c1-15(2)30(28,29)24-12-16-5-8-18(9-6-16)25-21(27)13-26-14-22(3,4)19-11-17(23)7-10-20(19)26/h7,10-11,15-16,18,24H,5-6,8-9,12-14H2,1-4H3,(H,25,27)/t16-,18- | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379604
(CHEMBL2013024)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(F)cc12 |r,wU:8.7,wD:11.14,(36.74,-.05,;35.41,.72,;35.41,2.26,;34.07,-.04,;34.83,-1.37,;33.3,-1.36,;32.74,.73,;31.4,-.04,;30.07,.73,;28.74,-.03,;27.41,.73,;27.41,2.27,;28.74,3.05,;30.07,2.27,;26.08,3.04,;24.74,2.26,;24.75,.72,;23.41,3.03,;22.08,2.26,;21.91,.73,;20.4,.4,;19.63,1.73,;18.13,2.05,;17.65,3.5,;18.68,4.66,;18.2,6.12,;20.19,4.34,;20.66,2.88,)| Show InChI InChI=1S/C20H28FN3O3S/c1-14(2)28(26,27)22-12-15-3-7-18(8-4-15)23-20(25)13-24-10-9-16-5-6-17(21)11-19(16)24/h5-6,9-11,14-15,18,22H,3-4,7-8,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379592
(CHEMBL2013015)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2c1ccc(F)c2F |r,wU:8.7,wD:11.14,(33.84,-25.97,;32.5,-25.2,;32.51,-23.66,;31.17,-25.96,;31.93,-27.29,;30.4,-27.29,;29.84,-25.2,;28.5,-25.97,;27.17,-25.19,;25.84,-25.96,;24.51,-25.19,;24.51,-23.65,;25.84,-22.88,;27.17,-23.65,;23.17,-22.89,;21.84,-23.66,;21.85,-25.2,;20.51,-22.9,;19.17,-23.67,;19.01,-25.2,;17.51,-25.52,;16.73,-24.19,;17.76,-23.05,;17.29,-21.59,;15.78,-21.27,;14.75,-22.42,;13.24,-22.11,;15.23,-23.88,;14.21,-25.03,)| Show InChI InChI=1S/C20H29F2N3O3S/c1-13(2)29(27,28)23-11-14-3-5-15(6-4-14)24-19(26)12-25-10-9-16-18(25)8-7-17(21)20(16)22/h7-8,13-15,23H,3-6,9-12H2,1-2H3,(H,24,26)/t14-,15- | KEGG
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379610
(CHEMBL2013018)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccccc12 |r,wU:8.7,wD:11.14,(10.13,-37.49,;8.79,-36.71,;8.8,-35.17,;7.46,-37.48,;8.22,-38.81,;6.69,-38.8,;6.13,-36.71,;4.79,-37.48,;3.46,-36.71,;2.13,-37.47,;.8,-36.71,;.8,-35.17,;2.13,-34.39,;3.46,-35.17,;-.53,-34.4,;-1.87,-35.17,;-1.86,-36.71,;-3.2,-34.41,;-4.53,-35.18,;-4.7,-36.71,;-6.21,-37.03,;-6.98,-35.7,;-8.48,-35.39,;-8.96,-33.93,;-7.93,-32.78,;-6.42,-33.1,;-5.95,-34.56,)| Show InChI InChI=1S/C20H29N3O3S/c1-15(2)27(25,26)21-13-16-7-9-18(10-8-16)22-20(24)14-23-12-11-17-5-3-4-6-19(17)23/h3-6,11-12,15-16,18,21H,7-10,13-14H2,1-2H3,(H,22,24)/t16-,18- | KEGG
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379609
(CHEMBL2013019)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2c(Cl)cccc12 |r,wU:8.7,wD:11.14,(32.57,-39.12,;31.23,-38.34,;31.24,-36.8,;29.9,-39.11,;30.66,-40.44,;29.13,-40.43,;28.57,-38.34,;27.23,-39.11,;25.9,-38.34,;24.57,-39.1,;23.24,-38.34,;23.24,-36.8,;24.57,-36.02,;25.9,-36.8,;21.9,-36.03,;20.57,-36.8,;20.58,-38.34,;19.24,-36.04,;17.91,-36.81,;17.74,-38.34,;16.23,-38.66,;15.46,-37.33,;13.96,-37.02,;12.94,-38.17,;13.48,-35.56,;14.51,-34.41,;16.02,-34.73,;16.49,-36.19,)| Show InChI InChI=1S/C20H28ClN3O3S/c1-14(2)28(26,27)22-12-15-6-8-16(9-7-15)23-20(25)13-24-11-10-17-18(21)4-3-5-19(17)24/h3-5,10-11,14-16,22H,6-9,12-13H2,1-2H3,(H,23,25)/t15-,16- | KEGG
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379591
(CHEMBL2013017)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CCN1CCc2ccccc12 |r,wU:8.7,wD:11.14,(33.54,-33.77,;32.21,-33,;32.21,-31.46,;30.87,-33.76,;31.64,-35.09,;30.1,-35.08,;29.54,-32.99,;28.21,-33.76,;26.87,-32.99,;25.54,-33.75,;24.21,-32.99,;24.21,-31.45,;25.54,-30.67,;26.87,-31.45,;22.88,-30.68,;21.55,-31.46,;21.55,-33,;20.21,-30.69,;18.88,-31.46,;17.54,-30.69,;16.18,-31.4,;15.07,-30.32,;15.76,-28.95,;15.19,-27.53,;16.14,-26.32,;17.67,-26.54,;18.23,-27.97,;17.28,-29.17,)| Show InChI InChI=1S/C21H33N3O3S/c1-16(2)28(26,27)22-15-17-7-9-19(10-8-17)23-21(25)12-14-24-13-11-18-5-3-4-6-20(18)24/h3-6,16-17,19,22H,7-15H2,1-2H3,(H,23,25)/t17-,19- | KEGG
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379601
(CHEMBL2013029)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cc1cn(C)c2ccccc12 |r,wU:8.7,wD:11.14,(35.85,-22.75,;34.52,-21.98,;34.52,-20.44,;33.18,-22.74,;33.95,-24.07,;32.41,-24.07,;31.85,-21.98,;30.52,-22.75,;29.18,-21.97,;27.85,-22.74,;26.52,-21.97,;26.52,-20.43,;27.85,-19.66,;29.18,-20.43,;25.19,-19.67,;23.86,-20.44,;23.86,-21.98,;22.52,-19.68,;21.19,-20.45,;21.03,-21.98,;19.52,-22.3,;18.89,-23.71,;18.75,-20.97,;17.25,-20.66,;16.77,-19.2,;17.8,-18.05,;19.3,-18.37,;19.78,-19.83,)| Show InChI InChI=1S/C21H31N3O3S/c1-15(2)28(26,27)22-13-16-8-10-18(11-9-16)23-21(25)12-17-14-24(3)20-7-5-4-6-19(17)20/h4-7,14-16,18,22H,8-13H2,1-3H3,(H,23,25)/t16-,18- | KEGG
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379605
(CHEMBL2013023)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(F)ccc12 |r,wU:8.7,wD:11.14,(12.82,1.29,;11.49,2.06,;11.49,3.6,;10.15,1.3,;10.91,-.03,;9.38,-.03,;8.82,2.07,;7.48,1.3,;6.15,2.07,;4.82,1.31,;3.49,2.07,;3.49,3.61,;4.82,4.39,;6.15,3.61,;2.16,4.38,;.82,3.6,;.83,2.06,;-.51,4.37,;-1.84,3.59,;-2.01,2.06,;-3.52,1.74,;-4.29,3.07,;-5.78,3.39,;-6.27,4.84,;-7.77,5.16,;-5.24,5.99,;-3.73,5.68,;-3.25,4.21,)| Show InChI InChI=1S/C20H28FN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8-11,14-15,18,22H,3-4,6-7,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379594
(CHEMBL2013013)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(C)ccc12 |r,wU:8.7,wD:11.14,(34.39,-20.24,;33.06,-19.47,;33.06,-17.93,;31.73,-20.23,;32.49,-21.56,;30.95,-21.56,;30.39,-19.46,;29.06,-20.23,;27.73,-19.46,;26.4,-20.22,;25.07,-19.46,;25.07,-17.92,;26.4,-17.14,;27.73,-17.92,;23.73,-17.15,;22.4,-17.93,;22.4,-19.47,;21.06,-17.16,;19.73,-17.94,;19.57,-19.46,;18.06,-19.79,;17.29,-18.46,;15.79,-18.14,;15.31,-16.69,;13.8,-16.37,;16.34,-15.53,;17.85,-15.85,;18.32,-17.31,)| Show InChI InChI=1S/C21H33N3O3S/c1-15(2)28(26,27)22-13-17-5-7-19(8-6-17)23-21(25)14-24-11-10-18-12-16(3)4-9-20(18)24/h4,9,12,15,17,19,22H,5-8,10-11,13-14H2,1-3H3,(H,23,25)/t17-,19- | KEGG
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50353153
(CHEMBL1829325)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.7,-24.94,;9.37,-24.17,;9.37,-22.63,;8.04,-24.94,;7.25,-26.26,;8.79,-26.26,;6.71,-24.17,;5.37,-24.93,;4.04,-24.16,;4.04,-22.62,;2.7,-21.84,;1.37,-22.62,;1.37,-24.16,;2.7,-24.92,;.03,-21.85,;-1.29,-22.62,;-1.29,-24.16,;-2.63,-21.85,;-3.96,-22.63,;-3.96,-24.17,;-2.63,-24.94,;-5.3,-24.93,;-6.63,-24.17,;-6.63,-22.64,;-7.97,-21.86,;-7.97,-20.32,;-9.3,-19.55,;-6.64,-19.55,;-5.3,-20.31,;-5.3,-21.86,)| Show InChI InChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26)/t15-,18- | KEGG
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PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379593
(CHEMBL2013014)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(F)ccc12 |r,wU:8.7,wD:11.14,(10.26,-24.27,;8.93,-23.5,;8.93,-21.96,;7.59,-24.26,;8.35,-25.59,;6.82,-25.58,;6.26,-23.49,;4.92,-24.26,;3.59,-23.49,;2.26,-24.25,;.93,-23.49,;.93,-21.95,;2.26,-21.17,;3.59,-21.95,;-.4,-21.18,;-1.73,-21.96,;-1.73,-23.5,;-3.07,-21.19,;-4.4,-21.96,;-4.56,-23.49,;-6.07,-23.82,;-6.84,-22.49,;-8.34,-22.17,;-8.82,-20.72,;-10.33,-20.4,;-7.79,-19.56,;-6.29,-19.88,;-5.81,-21.34,)| Show InChI InChI=1S/C20H30FN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | KEGG
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379602
(CHEMBL2013026)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(ccc12)C#N |r,wU:8.7,wD:11.14,(38.41,-9.77,;37.07,-8.99,;37.07,-7.45,;35.74,-9.76,;36.5,-11.09,;34.97,-11.08,;34.4,-8.99,;33.07,-9.76,;31.74,-8.99,;30.41,-9.75,;29.08,-8.99,;29.08,-7.45,;30.41,-6.67,;31.74,-7.45,;27.74,-6.68,;26.41,-7.45,;26.41,-8.99,;25.07,-6.69,;23.74,-7.46,;23.58,-8.99,;22.07,-9.31,;21.3,-7.98,;19.8,-7.67,;19.32,-6.21,;20.35,-5.06,;21.85,-5.38,;22.33,-6.84,;17.81,-5.9,;16.3,-5.59,)| Show InChI InChI=1S/C21H28N4O3S/c1-15(2)29(27,28)23-13-16-3-6-19(7-4-16)24-21(26)14-25-10-9-18-11-17(12-22)5-8-20(18)25/h5,8-11,15-16,19,23H,3-4,6-7,13-14H2,1-2H3,(H,24,26)/t16-,19- | KEGG
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379599
(CHEMBL2013027)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c(C)cc2ccccc12 |r,wU:8.7,wD:11.14,(12.22,-14.2,;10.89,-13.42,;10.89,-11.88,;9.55,-14.19,;10.31,-15.52,;8.78,-15.51,;8.22,-13.42,;6.88,-14.19,;5.55,-13.42,;4.22,-14.18,;2.89,-13.42,;2.89,-11.88,;4.22,-11.1,;5.55,-11.88,;1.56,-11.11,;.23,-11.88,;.23,-13.42,;-1.11,-11.12,;-2.44,-11.89,;-2.6,-13.42,;-1.46,-14.45,;-4.11,-13.74,;-4.88,-12.41,;-6.38,-12.1,;-6.86,-10.64,;-5.83,-9.49,;-4.33,-9.81,;-3.85,-11.27,)| Show InChI InChI=1S/C21H31N3O3S/c1-15(2)28(26,27)22-13-17-8-10-19(11-9-17)23-21(25)14-24-16(3)12-18-6-4-5-7-20(18)24/h4-7,12,15,17,19,22H,8-11,13-14H2,1-3H3,(H,23,25)/t17-,19- | KEGG
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PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379596
(CHEMBL2013011)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c2ccccc2oc1=O |r,wU:8.7,wD:11.14,(32.14,-13.65,;30.81,-12.88,;30.81,-11.34,;29.47,-13.64,;30.23,-14.97,;28.7,-14.97,;28.14,-12.88,;26.81,-13.65,;25.47,-12.87,;24.14,-13.64,;22.81,-12.87,;22.81,-11.33,;24.14,-10.56,;25.47,-11.33,;21.48,-10.57,;20.15,-11.34,;20.15,-12.88,;18.81,-10.57,;17.48,-11.35,;16.07,-10.73,;15.59,-9.27,;14.09,-8.95,;13.06,-10.1,;13.54,-11.56,;15.04,-11.87,;15.81,-13.2,;17.32,-12.88,;18.46,-13.91,)| Show InChI InChI=1S/C19H27N3O5S/c1-13(2)28(25,26)20-11-14-7-9-15(10-8-14)21-18(23)12-22-16-5-3-4-6-17(16)27-19(22)24/h3-6,13-15,20H,7-12H2,1-2H3,(H,21,23)/t14-,15- | KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50379600
(CHEMBL2013028)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:8.7,wD:11.14,(12.75,-21.34,;11.42,-20.56,;11.42,-19.02,;10.08,-21.33,;10.84,-22.66,;9.31,-22.65,;8.75,-20.56,;7.41,-21.33,;6.08,-20.56,;4.75,-21.32,;3.42,-20.56,;3.42,-19.02,;4.75,-18.24,;6.08,-19.02,;2.09,-18.25,;.75,-19.02,;.76,-20.56,;-.58,-18.26,;-1.91,-19.03,;-2.08,-20.56,;-3.59,-20.88,;-4.36,-19.55,;-5.85,-19.24,;-6.33,-17.78,;-5.31,-16.63,;-3.8,-16.95,;-3.32,-18.41,)| Show InChI InChI=1S/C20H29N3O3S/c1-14(2)27(25,26)22-12-15-7-9-17(10-8-15)23-20(24)11-16-13-21-19-6-4-3-5-18(16)19/h3-6,13-15,17,21-22H,7-12H2,1-2H3,(H,23,24)/t15-,17- | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Displacement of [125I]peptide YY from human NPY5 receptor |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50379595
(CHEMBL2013012)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50379595
(CHEMBL2013012)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50379595
(CHEMBL2013012)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50379595
(CHEMBL2013012)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50379595
(CHEMBL2013012)Show SMILES CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)| Show InChI InChI=1S/C20H30ClN3O3S/c1-14(2)28(26,27)22-12-15-3-6-18(7-4-15)23-20(25)13-24-10-9-16-11-17(21)5-8-19(16)24/h5,8,11,14-15,18,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 2167-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.117
BindingDB Entry DOI: 10.7270/Q2BV7HNQ |
More data for this
Ligand-Target Pair | |
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